Information card for entry 7217728

Structure parameters

• Formula: C170 H125 Cl20 N12 O4 Zn4
• Calculated formula: C124 H84 Cl8 N12 Zn4
• Title of publication: Environmental control in the assembly of metallomacrocycles and one-dimensional polymers with 4,2′:6′:4′′-terpyridine linkers and zinc(ii) nodes
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Prescimone, Alessandro; Vujovic, Srboljub; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 8691
• a: 14.3701 ± 0.0012 Å
• b: 22.089 ± 0.002 Å
• c: 26.512 ± 0.003 Å
• α: 95.414 ± 0.006°
• β: 95.48 ± 0.006°
• γ: 92.935 ± 0.005°
• Cell volume: 8324.2 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1933
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No